@MOLECULE 3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-({[(r)-hydroxy{[(r)-hydroxy{[(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydro-2-furanyl]methoxy}phosphoryl]oxy}phosphoryl]oxy}methyl)tetrahydro-2-furanyl]-3,9-dihydroimidazo[2,1-i]purin-6-ium 38 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.1073 1.9426 0.5344 P.3 1 UNL1 0.4129 2 P 2.5612 -0.0704 -1.7777 P.3 1 UNL1 0.4131 3 O 0.3782 -1.7393 1.3819 O.2 1 UNL1 -0.2229 4 O 1.4547 -4.8673 0.1609 O.2 1 UNL1 -0.2283 5 O 3.6014 -3.1930 1.3784 O.2 1 UNL1 -0.3312 6 O -1.5637 1.2686 0.1146 O.3 1 UNL1 -0.3023 7 O 2.7287 0.6302 1.9368 O.3 1 UNL1 -0.0452 8 O 0.0765 4.3060 -0.6659 O.2 1 UNL1 -0.3040 9 O -1.7265 4.3936 1.7263 O.2 1 UNL1 -0.2286 10 O 0.8746 0.7726 -2.1893 O.3 1 UNL1 -0.0312 11 O -2.9935 1.6327 1.7695 O.2 1 UNL1 -0.3495 12 O 2.8389 0.9157 -0.6045 O.3 1 UNL1 -0.3911 13 O 4.5052 2.0449 0.8415 O.3 1 UNL1 -0.1436 14 O 1.9166 2.7168 0.7816 O.2 1 UNL1 -0.2318 15 O 3.1703 0.3553 -3.0049 O.2 1 UNL1 -0.1333 16 O 2.0337 -1.3039 -1.2449 O.3 1 UNL1 -0.2584 17 N -1.0374 -3.1685 0.2299 N.2 1 UNL1 -0.3258 18 N -1.7108 -1.5224 -1.9994 N.1 1 UNL1 -0.5463 19 N -2.9429 -2.3323 1.3994 N.2 1 UNL1 -0.3785 20 N -4.5129 -0.8036 0.4148 N.ar 1 UNL1 -0.4530 21 N -4.2431 0.1935 -1.6654 N.ar 1 UNL1 -0.3544 22 C 1.3604 -3.7733 0.6093 C.2 1 UNL1 0.3211 23 C 2.4597 -2.8841 1.2172 C.2 1 UNL1 0.4062 24 C 0.1122 -2.9208 0.7048 C.2 1 UNL1 0.3026 25 C 1.7750 -1.6393 1.5292 C.3 1 UNL1 -0.2686 26 C 2.2778 -0.4317 1.7415 C.3 1 UNL1 0.5286 27 C -0.5302 3.3994 -0.1822 C.2 1 UNL1 0.4097 28 C -0.5849 1.9971 -0.5754 C.3 1 UNL1 -0.2575 29 C -1.4971 3.4790 1.0054 C.2 1 UNL1 0.2575 30 C -2.1346 2.0912 1.0854 C.2 1 UNL1 0.4522 31 C -2.1267 -2.3171 0.2641 C.2 1 UNL1 0.2293 32 C -1.0673 -1.5855 -2.9982 C.1 1 UNL1 0.4165 33 C 0.1862 1.3371 -1.4281 C.3 1 UNL1 0.5274 34 C -2.4890 -1.5153 -0.8765 C.3 1 UNL1 0.1535 35 C -3.6407 -0.7349 -0.7990 C.ar 1 UNL1 0.1105 36 C -3.9983 -1.6320 1.3672 C.3 1 UNL1 0.4110 37 C -5.6132 0.0319 0.3211 C.ar 1 UNL1 0.3658 38 C -5.2978 0.6048 -1.0627 C.ar 1 UNL1 0.0672 @BOND 1 15 2 2 2 32 18 3 3 10 2 1 4 10 33 1 5 18 34 1 6 2 16 1 7 2 12 1 8 21 38 ar 9 21 35 ar 10 33 28 1 11 38 37 ar 12 34 35 1 13 34 31 1 14 35 20 ar 15 8 27 2 16 12 1 1 17 28 27 1 18 28 6 1 19 27 29 1 20 6 30 1 21 4 22 2 22 17 31 1 23 17 24 2 24 31 19 2 25 37 20 ar 26 20 36 1 27 1 14 2 28 1 13 1 29 1 7 1 30 22 24 1 31 22 23 1 32 24 3 1 33 29 30 1 34 29 9 2 35 30 11 2 36 23 5 2 37 23 25 1 38 36 19 1 39 3 25 1 40 25 26 1 41 26 7 1